N-[[5-butylsulfanyl-4-(3-methylphenyl)-1,2,4-triazol-3-yl]methyl]-2-phenoxy-ethanamide

Systemtic Name: N-[[5-butylsulfanyl-4-(3-methylphenyl)-1,2,4-triazol-3-yl]methyl]-2-phenoxy-ethanamide Openeye Name: N-[[5-butylsulfanyl-4-(m-tolyl)-1,2,4-triazol-3-yl]methyl]-2-phenoxy-acetamide CAS Name: N-[[5-(butylthio)-4-(3-methylphenyl)-1,2,4-triazol-3-yl]methyl]-2-phenoxyacetamide IUPAC Name: N-[[5-butylsulfanyl-4-(3-methylphenyl)-1,2,4-triazol-3-yl]methyl]-2-phenoxyacetamide Traditional Name: N-[[5-(butylthio)-4-(m-tolyl)-1,2,4-triazol-3-yl]methyl]-2-phenoxy-acetamide Formula: C22H26N4O2S MolecularWeight: 410.53244

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=NN=C(N1C2=CC=CC(=C2)C)CNC(=O)COC3=CC=CC=C3

Isomeric SMILES

CCCCSC1=NN=C(N1C2=CC=CC(=C2)C)CNC(=O)COC3=CC=CC=C3

InChI

InChI=1S/C22H26N4O2S/c1-3-4-13-29-22-25-24-20(26(22)18-10-8-9-17(2)14-18)15-23-21(27)16-28-19-11-6-5-7-12-19/h5-12,14H,3-4,13,15-16H2,1-2H3,(H,23,27)